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4,4-Bis(2-fluorophenyl)cyclohexenone

HCID 54372702
NotesReactions

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Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C=CC(c2ccccc2F)(c2ccccc2F)CC1
InChIKey
UUIKJFMBLYXUOP-UHFFFAOYSA-N
Molecular formula
C18H14F2O
Average molar mass
284.3 g/mol

Names & identifiers

Preferred name
4,4-Bis(2-fluorophenyl)cyclohexenone
IUPAC
4,4-bis(2-fluorophenyl)cyclohex-2-en-1-one

Names & synonyms

SCHEMBL9729613UUIKJFMBLYXUOP-UHFFFAOYSA-N4,4-bis(2-fluorophenyl)cyclohexenone4,4-bis-(2-fluorophenyl)-cyclohexenone

Database identifiers

PubChem CID
54372702

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
395

Related reactions

3 records
New reaction record
HRID 208117 reaction equation
HRID 208117As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1029940 reaction equation
HRID 1029940As reactantuspto-grants-1992_04
HRID 1196242 reaction equation
HRID 1196242As reactantuspto-grants-1992_05

Compound notes

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